SIMILAR PATTERNS OF AMINO ACIDS FOR 3OKX_B_SAMB201_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qxo CHORISMATE SYNTHASE

(Streptococcus
pneumoniae) 		PF01264
(Chorismate_synt) 		4 HIS A 110
SER A 132
ASP A 339
THR A 315
 FMN  A4001 ( 3.8A)
EPS  A5001 (-3.5A)
FMN  A4001 ( 4.9A)
FMN  A4001 (-2.9A)
 1.07A 3okxB-1qxoA:
0.0		 3okxB-1qxoA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5v AMINOMETHYLTRANSFERA
SE

(Pyrococcus
horikoshii) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 SER A 344
ARG A 251
ASP A 116
THR A 267
 None
 1.40A 3okxB-1v5vA:
1.9		 3okxB-1v5vA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5v AMINOMETHYLTRANSFERA
SE

(Pyrococcus
horikoshii) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 SER A 344
ARG A 251
ASP A 118
THR A 267
 None
 1.44A 3okxB-1v5vA:
1.9		 3okxB-1v5vA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 HIS A 466
SER A 426
ASP A 170
THR A 459
 EUG  A1562 ( 4.8A)
EUG  A1562 ( 4.8A)
FAD  A1561 ( 3.6A)
EUG  A1562 ( 4.0A)
 1.47A 3okxB-1w1kA:
undetectable		 3okxB-1w1kA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y30 HYPOTHETICAL PROTEIN
RV1155

(Mycobacterium
tuberculosis) 		PF01243
(Putative_PNPOx) 		4 SER A  50
ARG A 121
ASP A  97
THR A  89
 None
 1.48A 3okxB-1y30A:
2.0		 3okxB-1y30A:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 HIS A 525
SER A 645
ARG A 383
THR A 679
 None
None
CL  A1739 (-4.6A)
None
 1.35A 3okxB-2c11A:
0.0		 3okxB-2c11A:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		4 HIS A 434
ARG A 591
ASP A   8
THR A  77
 None
ADP  A1001 (-3.3A)
MG  A1003 ( 4.1A)
None
 0.97A 3okxB-2d0oA:
1.2		 3okxB-2d0oA:
14.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hdw HYPOTHETICAL PROTEIN
PA2218

(Pseudomonas
aeruginosa) 		PF02129
(Peptidase_S15) 		4 HIS A 264
ARG A 353
ASP A 349
THR A 269
 None
 1.38A 3okxB-2hdwA:
0.0		 3okxB-2hdwA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		4 SER A 172
ARG A 160
ASP A 399
THR A 166
 None
2A3  A 602 (-3.0A)
None
None
 1.41A 3okxB-3anyA:
0.0		 3okxB-3anyA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3if6 OXA-46 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		4 HIS C  78
SER C  72
ARG C 216
ASP C 161
 None
KCX  C  75 ( 2.7A)
None
None
 1.48A 3okxB-3if6C:
0.0		 3okxB-3if6C:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3okx YAEB-LIKE PROTEIN
RPA0152

(Rhodopseudomonas
palustris) 		PF01980
(UPF0066) 		4 SER A  81
ARG A 103
ASP A 132
THR A 137
 SAM  A 201 (-3.1A)
SAM  A 201 (-4.0A)
SAM  A 201 (-3.1A)
SAM  A 201 (-3.2A)
 0.07A 3okxB-3okxA:
23.9		 3okxB-3okxA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rij SC_2CX5

(Thermus
thermophilus) 		PF04073
(tRNA_edit) 		4 HIS A 108
ARG A 134
ASP A  99
THR A  96
 None
 1.49A 3okxB-3rijA:
undetectable		 3okxB-3rijA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rqb UNCHARACTERIZED
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF13622
(4HBT_3) 		4 HIS A 118
ARG A 221
ASP A 253
THR A 119
 None
 1.48A 3okxB-3rqbA:
undetectable		 3okxB-3rqbA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		4 HIS A 227
SER A 229
ARG A 272
THR A 202
 None
 1.27A 3okxB-3uk2A:
undetectable		 3okxB-3uk2A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 HIS A 274
SER A 276
ARG A 336
THR A 357
 None
 1.38A 3okxB-3viuA:
undetectable		 3okxB-3viuA:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 SER A 361
ARG A 177
ASP A 411
THR A 329
 None
 1.45A 3okxB-4cgyA:
undetectable		 3okxB-4cgyA:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4efz METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Burkholderia
pseudomallei) 		PF00753
(Lactamase_B) 		4 HIS A 212
SER A  15
ASP A  34
THR A  11
 None
 1.29A 3okxB-4efzA:
undetectable		 3okxB-4efzA:
25.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		4 HIS A  11
SER A 229
ARG A 243
THR A  40
 ZN  A 303 ( 3.3A)
None
CL  A 306 ( 4.8A)
None
 1.34A 3okxB-4gk8A:
undetectable		 3okxB-4gk8A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ogc HNH ENDONUCLEASE
DOMAIN PROTEIN

(Actinomyces
naeslundii) 		PF01844
(HNH) 		4 HIS A  21
ARG A 527
ASP A 509
THR A  20
 None
 1.47A 3okxB-4ogcA:
undetectable		 3okxB-4ogcA:
10.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		4 SER A 120
ARG A  28
ASP A 109
THR A  56
 None
 1.42A 3okxB-4p9nA:
undetectable		 3okxB-4p9nA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4po6 NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		no annotation 4 HIS A 385
SER A 394
ASP A 399
THR A 384
 None
 1.26A 3okxB-4po6A:
undetectable		 3okxB-4po6A:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiw DNA-DIRECTED RNA
POLYMERASE
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''
DNA-DIRECTED RNA
POLYMERASE SUBUNIT H

(Thermococcus
kodakarensis;
Thermococcus
kodakarensis;
Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF04998
(RNA_pol_Rpb1_5)
PF01191
(RNA_pol_Rpb5_C) 		4 SER H  67
ARG C 294
ASP C 301
THR A 887
 None
 1.44A 3okxB-4qiwH:
undetectable		 3okxB-4qiwH:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y0i 4-AMINOBUTYRATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Sus scrofa) 		PF00202
(Aminotran_3) 		4 HIS A 201
SER A 202
ASP A 298
THR A 199
 None
None
PSZ  A 501 (-2.8A)
None
 1.27A 3okxB-4y0iA:
undetectable		 3okxB-4y0iA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysl BETA-LACTAMASE
DOMAIN PROTEIN

(Pseudomonas
putida) 		PF00753
(Lactamase_B) 		4 HIS A 212
SER A  21
ASP A  40
THR A  17
 GSH  A 302 ( 4.8A)
None
None
None
 1.21A 3okxB-4yslA:
undetectable		 3okxB-4yslA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5giv CARBOXYPEPTIDASE 1

(Deinococcus
radiodurans) 		PF02074
(Peptidase_M32) 		4 SER A 346
ARG A 251
ASP A 256
THR A 342
 None
 1.39A 3okxB-5givA:
undetectable		 3okxB-5givA:
15.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gll GLYCOSIDE HYDROLASE
FAMILY 43

(uncultured
bacterium) 		PF04616
(Glyco_hydro_43) 		4 HIS A 334
SER A  72
ARG A 122
THR A 317
 None
GOL  A 403 ( 4.5A)
None
GOL  A 403 (-4.0A)
 1.22A 3okxB-5gllA:
undetectable		 3okxB-5gllA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 HIS A 432
SER A 433
ASP A 410
THR A 441
 None
 1.18A 3okxB-5ihrA:
undetectable		 3okxB-5ihrA:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iud DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 HIS A 637
SER A 709
ARG A1082
ASP A1173
 None
 1.50A 3okxB-5iudA:
undetectable		 3okxB-5iudA:
9.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k0t METHIONINE--TRNA
LIGASE

(Brucella suis) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 HIS A 101
SER A  97
ASP A  92
THR A 239
 None
 1.33A 3okxB-5k0tA:
undetectable		 3okxB-5k0tA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5njf METALLOPROTEASE PMBA

(Escherichia
coli) 		PF01523
(PmbA_TldD) 		4 HIS B 187
SER B 214
ASP B 125
THR B 185
 None
 1.36A 3okxB-5njfB:
undetectable		 3okxB-5njfB:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u70 POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a)
PF07885
(Ion_trans_2) 		4 SER A 516
ARG A 923
ASP A 367
THR A 510
 None
 1.41A 3okxB-5u70A:
undetectable		 3okxB-5u70A:
9.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		4 HIS A  66
ARG A 128
ASP A  73
THR A 107
 None
 1.47A 3okxB-5xfaA:
undetectable		 3okxB-5xfaA:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bfu SPIKE PROTEIN

(Coronavirus
HKU15) 		no annotation 4 HIS A 275
SER A 273
ASP A 244
THR A 258
 None
 1.34A 3okxB-6bfuA:
undetectable		 3okxB-6bfuA:
11.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 4 HIS A 433
ARG A 472
ASP A 463
THR A 410
 None
 1.47A 3okxB-6gh2A:
undetectable		 3okxB-6gh2A:
undetectable